AG003ION

152775-45-6 | 4-Methoxy-3,5-dimethylbenzonitrile

AG003ION

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CAS Number	152775-45-6
Catalog Number	AG003ION(AGN-PC-0036TC)
Chemical Name	4-Methoxy-3,5-dimethylbenzonitrile
IUPAC Name	4-methoxy-3,5-dimethylbenzonitrile
InChI	InChI=1S/C10H11NO/c1-7-4-9(6-11)5-8(2)10(7)12-3/h4-5H,1-3H3
InChI Key	LOWLIBHYJIAZTN-UHFFFAOYSA-N
MDL Number	MFCD03428544
Molecular Formula	C10H11NO
Molecular Weight	161.2004
SMILES	N#CC1=CC(C)=C(OC)C(C)=C1
Synonyms	4-methoxy-3,5-dimethylbenzonitrile, 152775-45-6, 3,5-Dimethyl-4-methoxybenzonitrile, ACMC-20ancd, Intermediates-ZCF02164, SCHEMBL932145, CTK6J3956, DTXSID10566465, 3 5-Dimethyl-4-methoxybenzonitrile, ZINC2586007, 4-Methoxy-3,5-dimethyl-benzonitrile, MFCD03428544, AKOS013153311, AS03731, CM13061, DS-6020, 3 5-Dimethyl-4-methoxybenzonitrile 97, AJ-43675, AK129028, 3,5-Dimethyl-4-methoxybenzonitrile, 97%, DB-024382, RT-019327, FT-0766473, X4273, I01-8183, J-008948, C10H11NO, Benzonitrile, 4-methoxy-3,5-dimethyl-, A3354,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.204g/mol
Monoisotopic Mass	161.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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